N-ethyl-N-phenyl-1H-imidazole-5-sulfonamide

C11H13N3O2S — CID 3237381

IUPACN-ethyl-N-phenyl-1H-imidazole-5-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C11H13N3O2S/c1-2-14(10-6-4-3-5-7-10)17(15,16)11-8-12-9-13-11/h3-9H,2H2,1H3,(H,12,13)
InChIKeyWQJHCIIPPGCZHU-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.62
Rot. Bonds4

About N-ethyl-N-phenyl-1H-imidazole-5-sulfonamide

N-ethyl-N-phenyl-1H-imidazole-5-sulfonamide (PubChem CID 3237381) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-ethyl-N-phenyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-1H-imidazole-5-sulfonamide
PubChem CID3237381
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-ethyl-N-phenyl-1H-imidazole-5-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C11H13N3O2S/c1-2-14(10-6-4-3-5-7-10)17(15,16)11-8-12-9-13-11/h3-9H,2H2,1H3,(H,12,13)
InChIKeyWQJHCIIPPGCZHU-UHFFFAOYSA-N
XLogP1.62
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-ethyl-N-phenyl-1H-imidazole-5-sulfonamide (CID 3237381) is N-ethyl-N-phenyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-ethyl-N-phenyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-ethyl-N-phenyl-1H-imidazole-5-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-ethyl-N-phenyl-1H-imidazole-5-sulfonamide?
The InChIKey is WQJHCIIPPGCZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-2-14(10-6-4-3-5-7-10)17(15,16)11-8-12-9-13-11/h3-9H,2H2,1H3,(H,12,13).
What are the key properties of N-ethyl-N-phenyl-1H-imidazole-5-sulfonamide?
N-ethyl-N-phenyl-1H-imidazole-5-sulfonamide has a molecular weight of 251.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 3237381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).